Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50002605'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50002605 (CHEMBL206002) Show SMILES C[C@H](CNc1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C25H25ClN2O5/c1-15(27-14-23(29)17-5-2-6-19(26)10-17)13-28-20-7-3-4-16(11-20)21-9-8-18(24(30)31)12-22(21)25(32)33/h2-12,15,23,27-29H,13-14H2,1H3,(H,30,31)(H,32,33)/t15-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
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